SCHEMBL205686

SCHEMBL205686

CCCCCCCCOc1ccc(Nc2nc(CN3CCCC(C)C3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HRH3 Q9Y5N1 15/20 0.47
S1PR5 Q9H228 2/20 0.45
MAOB P27338 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL205512 0.89 HRH3 (0.45) HRH3S1PR5KDM4EALDH1A1
SCHEMBL249954 0.87 S1PR5 (0.64) LMNAS1PR5ALDH1A1
SCHEMBL251744 0.86 SPHK1 (0.47) HRH3S1PR5ALDH1A1
SCHEMBL205846 0.85 LMNA (0.46) LMNAHRH3KDM4EALDH1A1
SCHEMBL207070 0.85 HRH3 (0.42) HRH3S1PR5
SCHEMBL250502 0.84 RAB9A (0.54) HRH3S1PR5ALDH1A1
SCHEMBL251181 0.83 LMNA (0.43) LMNAHRH3MAOB
SCHEMBL209218 0.83 MAPT (0.42) LMNAHRH3MAOBALDH1A1
SCHEMBL205781 0.83 NPC1 (0.41) LMNAHRH3S1PR5ALDH1A1
SCHEMBL250489 0.83 SPHK1 (0.45) HRH3S1PR5ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 LMNA 2668/4885HRH3 1390/4885S1PR5 2976/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 LMNA 2668/4885HRH3 1390/4885S1PR5 2976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.